Basic information
- Standard SMILES
CC(C)Cc1cccc2c1C(=O)C(=O)N2- InChIKey
FDOQNMOEIQLHGY-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
Names & identifiers
- Preferred name
- 4-isobutyl-1H-indole-2,3-dione
- IUPAC
- 4-(2-methylpropyl)-1H-indole-2,3-dione
Names & synonyms
SCHEMBL5894501FDOQNMOEIQLHGY-UHFFFAOYSA-N4-isobutyl-1H-indole-2,3-dione
Database identifiers
- PubChem CID
- 21956321
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 285
Related reactions
6 records
Compound notes
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